4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3-dione

Systemtic Name: 4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3-dione Openeye Name: 4-[(1,3-benzodioxol-5-ylamino)methylene]-2-(6-methyl-2-pyridyl)isoquinoline-1,3-dione CAS Name: 4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(6-methyl-2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: 4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3-dione Traditional Name: 4-[(1,3-benzodioxol-5-ylamino)methylene]-2-(6-methyl-2-pyridyl)isoquinoline-1,3-quinone Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=CC5=C(C=C4)OCO5)C2=O

Isomeric SMILES

CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=CC5=C(C=C4)OCO5)C2=O

InChI

InChI=1S/C23H17N3O4/c1-14-5-4-8-21(25-14)26-22(27)17-7-3-2-6-16(17)18(23(26)28)12-24-15-9-10-19-20(11-15)30-13-29-19/h2-12,24H,13H2,1H3